CID 51056390

57861-84-4

Structural Information

Molecular Formula
C18H25N5
SMILES
CCN1C2=NC3=CC=CC=C3C(=C2C(=N1)C)NCCCN(C)C
InChI
InChI=1S/C18H25N5/c1-5-23-18-16(13(2)21-23)17(19-11-8-12-22(3)4)14-9-6-7-10-15(14)20-18/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,19,20)
InChIKey
PDQQLORMCACYHQ-UHFFFAOYSA-N
Compound name
N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.211 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.21828 177.5
[M+Na]+ 334.20022 186.8
[M-H]- 310.20372 180.8
[M+NH4]+ 329.24482 192.9
[M+K]+ 350.17416 181.8
[M+H-H2O]+ 294.20826 167.7
[M+HCOO]- 356.20920 199.4
[M+CH3COO]- 370.22485 218.8
[M+Na-2H]- 332.18567 182.7
[M]+ 311.21045 183.2
[M]- 311.21155 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.